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	hartrees
Energy at 0K	-302.048489
Energy at 298.15K	-302.059285
HF Energy	-302.048489
Nuclear repulsion energy	245.938491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3940	3540	41.72
2	A	3861	3469	37.87
3	A	3826	3438	38.62
4	A	3287	2953	40.60
5	A	3276	2944	55.59
6	A	3227	2899	35.39
7	A	3210	2884	18.82
8	A	3199	2875	50.06
9	A	1976	1775	644.85
10	A	1808	1625	171.92
11	A	1683	1512	4.10
12	A	1650	1482	2.09
13	A	1639	1472	5.50
14	A	1628	1463	27.05
15	A	1570	1411	61.25
16	A	1565	1406	263.94
17	A	1505	1353	35.61
18	A	1427	1282	4.98
19	A	1308	1175	19.32
20	A	1275	1146	3.97
21	A	1239	1113	45.59
22	A	1162	1044	12.71
23	A	1064	956	3.02
24	A	974	875	2.90
25	A	893	802	15.73
26	A	874	785	105.44
27	A	654	587	66.21
28	A	617	555	47.00
29	A	598	538	124.60
30	A	535	481	54.31
31	A	427	383	135.01
32	A	388	349	1.38
33	A	290	261	2.38
34	A	215	193	3.09
35	A	117	106	8.01
36	A	64	58	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-2.611	-0.214	-0.002
H2	-2.687	-1.018	0.724
H3	-3.421	0.481	0.186
H4	-2.745	-0.634	-0.993
C5	-1.269	0.495	0.108
H6	-1.245	1.311	-0.609
H7	-1.159	0.932	1.097
N8	-0.192	-0.436	-0.176
H9	-0.391	-1.404	-0.058
N10	1.485	1.151	0.037
H11	2.466	1.304	-0.048
H12	0.916	1.822	-0.427
C13	1.140	-0.176	-0.021
O14	1.956	-1.053	0.074

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0858	1.0842	1.0847	1.5223	2.1354	2.1520	2.4357	2.5196	4.3177	5.2989	4.0948	3.7511	4.6441
H2	1.0858		1.7540	1.7603	2.1635	3.0461	2.5054	2.7155	2.4558	4.7517	5.7036	4.7296	3.9881	4.6880
H3	1.0842	1.7540		1.7584	2.1540	2.4609	2.4804	3.3766	3.5774	4.9541	5.9487	4.5811	4.6129	5.5930
H4	1.0847	1.7603	1.7584		2.1603	2.4859	3.0556	2.6881	2.6473	4.7052	5.6389	4.4447	4.0307	4.8387
C5	1.5223	2.1635	2.1540	2.1603		1.0861	1.0866	1.4516	2.0993	2.8316	3.8240	2.6113	2.5038	3.5775
H6	2.1354	3.0461	2.4609	2.4859	1.0861		1.7496	2.0850	2.8993	2.8103	3.7530	2.2284	2.8716	4.0378
H7	2.1520	2.5054	2.4804	3.0556	1.0866	1.7496		2.1035	2.7169	2.8566	3.8189	2.7236	2.7856	3.8323
N8	2.4357	2.7155	3.3766	2.6881	1.4516	2.0850	2.1035		0.9961	2.3178	3.1783	2.5269	1.3654	2.2487
H9	2.5196	2.4558	3.5774	2.6473	2.0993	2.8993	2.7169	0.9961		3.1711	3.9360	3.5003	1.9629	2.3767
N10	4.3177	4.7517	4.9541	4.7052	2.8316	2.8103	2.8566	2.3178	3.1711		0.9960	0.9947	1.3721	2.2537
H11	5.2989	5.7036	5.9487	5.6389	3.8240	3.7530	3.8189	3.1783	3.9360	0.9960		1.6772	1.9869	2.4142
H12	4.0948	4.7296	4.5811	4.4447	2.6113	2.2284	2.7236	2.5269	3.5003	0.9947	1.6772		2.0511	3.0980
C13	3.7511	3.9881	4.6129	4.0307	2.5038	2.8716	2.7856	1.3654	1.9629	1.3721	1.9869	2.0511		1.2017
O14	4.6441	4.6880	5.5930	4.8387	3.5775	4.0378	3.8323	2.2487	2.3767	2.2537	2.4142	3.0980	1.2017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.753	C1	C5	H7	110.022
C1	C5	N8	109.949	H2	C1	H3	107.868
H2	C1	H4	108.400	H2	C1	C5	110.994
H3	C1	H4	108.342	H3	C1	C5	110.330
H4	C1	C5	110.807	C5	N8	H9	116.882
C5	N8	C13	125.421	H6	C5	H7	107.270
H6	C5	N8	109.655	H7	C5	N8	111.124
N8	C13	N10	115.706	N8	C13	O14	122.189
H9	N8	C13	111.487	N10	C13	O14	122.100
H11	N10	H12	114.813	H11	N10	C13	113.116
H12	N10	C13	119.273

All results from a given calculation for NH₂CONHC₂H₅ (Urea, ethyl-)

using model chemistry: HF/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.511
2	H	0.172
3	H	0.178
4	H	0.181
5	C	-0.094
6	H	0.158
7	H	0.179
8	N	-0.805
9	H	0.390
10	N	-0.916
11	H	0.392
12	H	0.377
13	C	0.930
14	O	-0.631

	x	y	z	Total
	-3.216	2.881	-0.641	4.364
CHELPG	-3.244	2.873	-0.690	4.388
AIM
ESP	-3.237	2.864	-0.695	4.378

	x	y	z
x	7.867	-0.249	0.128
y	-0.249	6.742	-0.102
z	0.128	-0.102	4.685

<r²>	200.682
(<r²>)^1/2	14.166

All results from a given calculation for NH2CONHC2H5 (Urea, ethyl-)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for NH₂CONHC₂H₅ (Urea, ethyl-)